2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine

C11H21N3S — CID 62363597

IUPAC2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(N)=N/C1CCCC1)C1CCSC1
InChIInChI=1S/C11H21N3S/c1-14(10-6-7-15-8-10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyJGHGYNACOLLONW-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.68
Rot. Bonds2

About 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine

2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine (PubChem CID 62363597) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
PubChem CID62363597
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(N)=N/C1CCCC1)C1CCSC1
InChIInChI=1S/C11H21N3S/c1-14(10-6-7-15-8-10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyJGHGYNACOLLONW-UHFFFAOYSA-N
XLogP1.68
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine (CID 62363597) is 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine is CN(/C(N)=N/C1CCCC1)C1CCSC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
The InChIKey is JGHGYNACOLLONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-14(10-6-7-15-8-10)11(12)13-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine?
2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine has a molecular weight of 227.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 62363597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).